CID 91663290

(s)-3-amino-3-(3-((r)-1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl)propanamide

Structural Information

Molecular Formula
C7H13N5O3
SMILES
C([C@@H](C1=NC(=NO1)[C@H](CO)N)N)C(=O)N
InChI
InChI=1S/C7H13N5O3/c8-3(1-5(10)14)7-11-6(12-15-7)4(9)2-13/h3-4,13H,1-2,8-9H2,(H2,10,14)/t3-,4-/m0/s1
InChIKey
GBRIVGUQMYWVTC-IMJSIDKUSA-N
Compound name
(3S)-3-amino-3-[3-[(1R)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazol-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

215.10184 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10912 147.4
[M+Na]+ 238.09106 152.6
[M-H]- 214.09456 146.8
[M+NH4]+ 233.13566 161.0
[M+K]+ 254.06500 152.6
[M+H-H2O]+ 198.09910 139.1
[M+HCOO]- 260.10004 167.3
[M+CH3COO]- 274.11569 191.4
[M+Na-2H]- 236.07651 148.4
[M]+ 215.10129 143.7
[M]- 215.10239 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe